5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide

C16H23ClN2O2 — CID 79702379

IUPAC5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H23ClN2O2/c1-2-9-19(11-12-5-7-18-8-6-12)16(21)14-10-13(17)3-4-15(14)20/h3-4,10,12,18,20H,2,5-9,11H2,1H3
InChIKeyCKZJTTOPMWXCJV-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.90
Rot. Bonds5

About 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide

5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide (PubChem CID 79702379) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
PubChem CID79702379
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H23ClN2O2/c1-2-9-19(11-12-5-7-18-8-6-12)16(21)14-10-13(17)3-4-15(14)20/h3-4,10,12,18,20H,2,5-9,11H2,1H3
InChIKeyCKZJTTOPMWXCJV-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide (CID 79702379) is 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide is CCCN(CC1CCNCC1)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The InChIKey is CKZJTTOPMWXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-9-19(11-12-5-7-18-8-6-12)16(21)14-10-13(17)3-4-15(14)20/h3-4,10,12,18,20H,2,5-9,11H2,1H3.
What are the key properties of 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide has a molecular weight of 310.82 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 79702379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).